E : Creation and characterization of advanced materials through computer simulation
Organizers:
Representative
Correspondence
Co-Organizers
| Prof. Uesugi Tokuteru | Osaka Prefecture University |
| Prof. Kotani Takao | Tottori University |
| Dr. Shingo Tanaka | National Institute of Advanced Industrial Science and Technology |
| Prof. Raebiger Hannes | Yokohama National University |
Scope:
Computational materials science is a dynamic and rapidly developing field now viewed as essential for the characterization and creation of new materials. Together with high-resolution, high-precision experimental methods, computer simulation combined with information science is facilitating a materials revolution by enabling complex systems to be analyzed and designed from the nano-scale upwards. It thus has a vital role to play in addressing many pressing problems facing society in the areas of energy, health, environment, transport, and manufacturing. This symposium will focus on properties of newly developed materials based on a wide range of computational materials science methods spanning from the electronic and atomic levels to continuum models (including quantum-mechanical calculations, classical molecular dynamics, dislocation dynamics, phase-field modeling, and multiscale methods). Results from these methods will form the basis of lively and multifaceted discussions of materials phenomena such as electrical and thermal conductivities, ferroelectricity, magnetism, catalysis, optics, grain growth and sintering. Contributions relating to new computational techniques or the burgeoning field of materials informatics are particularly welcome.
Topics:
1.Computational Materials Science
2.Materials Design
3.Grain boundaries/Interfaces/Surfaces/Dislocations/Point Defects
4. Functional Materials/Structural Materials
5.Electronic Structure/Atomistic Simulation Methods
6.Microsopic Continuum Matter Models and Multiscale Simulation Methods
Invited Lectures: (alphabetical order)
- Dr. Susumu FUJII (JFCC),
"Microscopic Thermal Conduction Mechanism in Grain Boundaries Examined by Perturbed Molecular Dynamics and Structural Descriptor". - Dr. Randy JALEM (NIMS),
"DFT and informatics approaches for finding novel solid electrolytes for all-solid-state batteries" - Prof. Akira MASAGO (Osaka Univ.),
"Computational Materials Design for Gate Switching of Magnetism in Crystal" - Prof. Yuichiro MATSUSHITA (Tokyo Inst. Tech.),
"Quasiparticle spectra calculated by coupled-cluster theory" - Prof. Hidetoshi MIYAZAKI (Nagoya Inst. Tech.),
"Design and exploration of low thermal conductivity Heusler type thermoelectric conversion materials using computational science" - Dr. Kei TERAYAMA (RIKEN AIP),
"Development of efficient sampling methods based on machine learning techniques and their applications"